Geometry & MOs

Info

ID:	284949
PubChem CID:	104084997
Reduced:	ClNSC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	21.02
Dipole, Da:	1.52
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(1-hydroxypropan-2-ylsulfanyl)-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(CSCC1=CC=CC2=C1N=CC=C2)CCl

DOS

IR

Vibrations